N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H22N4O — CID 95718973

IUPACN-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC[C@@H]2CCCOC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-11(2)13-8-15(19-14(18-13)5-6-17-19)16-9-12-4-3-7-20-10-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyNPSMQAZTHMXSSY-LBPRGKRZSA-N
MW274.37 g/mol
LogP2.69
Rot. Bonds4

About N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95718973) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95718973
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC[C@@H]2CCCOC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-11(2)13-8-15(19-14(18-13)5-6-17-19)16-9-12-4-3-7-20-10-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyNPSMQAZTHMXSSY-LBPRGKRZSA-N
XLogP2.69
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-ylmethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56905068
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56886694
(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95889222
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol
CID 70730149
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
5-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909765
(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 95725588
5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
N-cyclohexyl-5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170418529
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95718973) is N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NC[C@@H]2CCCOC2)n2nccc2n1.
What is the InChIKey of N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NPSMQAZTHMXSSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)13-8-15(19-14(18-13)5-6-17-19)16-9-12-4-3-7-20-10-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 274.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95718973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).